Action_Thermostats
        Add_AtomRandomPerturbation
        Add_FitFragmentPartialChargesAction
        Add_RotateAroundBondAction
        Add_SelectAtomByNameAction
        Adding_Graph_to_ChangeBondActions
        Adding_MD_integration_tests
        Adding_StructOpt_integration_tests
        Automaking_mpqc_open
        AutomationFragmentation_failures
        Candidate_v1.5.4
        Candidate_v1.6.0
        Candidate_v1.6.1
        Candidate_v1.7.0
        ChangeBugEmailaddress
        ChangingTestPorts
        ChemicalSpaceEvaluator
        Combining_Subpackages
        Debian_Package_split
        Debian_package_split_molecuildergui_only
        Disabling_MemDebug
        Docu_Python_wait
        EmpiricalPotential_contain_HomologyGraph
        EmpiricalPotential_contain_HomologyGraph_documentation
        Enable_parallel_make_install
        Enhance_userguide
        Enhanced_StructuralOptimization
        Enhanced_StructuralOptimization_continued
        Example_ManyWaysToTranslateAtom
        Exclude_Hydrogens_annealWithBondGraph
        FitPartialCharges_GlobalError
        Fix_ChargeSampling_PBC
        Fix_ChronosMutex
        Fix_FitPartialCharges
        Fix_FitPotential_needs_atomicnumbers
        Fix_ForceAnnealing
        Fix_IndependentFragmentGrids
        Fix_ParseParticles
        Fix_ParseParticles_split_forward_backward_Actions
        Fix_StatusMsg
        Fix_StepWorldTime_single_argument
        Fix_Verbose_Codepatterns
        ForceAnnealing_goodresults
        ForceAnnealing_oldresults
        ForceAnnealing_tocheck
        ForceAnnealing_with_BondGraph
        ForceAnnealing_with_BondGraph_continued
        ForceAnnealing_with_BondGraph_continued_betteresults
        ForceAnnealing_with_BondGraph_contraction-expansion
        GeometryObjects
        Gui_displays_atomic_force_velocity
        IndependentFragmentGrids
        IndependentFragmentGrids_IndividualZeroInstances
        IndependentFragmentGrids_IntegrationTest
        IndependentFragmentGrids_Sole_NN_Calculation
        JobMarket_RobustOnKillsSegFaults
        JobMarket_StableWorkerPool
        JobMarket_unresolvable_hostname_fix
        ODR_violation_mpqc_open
        PartialCharges_OrthogonalSummation
        PythonUI_with_named_parameters
        QtGui_reactivate_TimeChanged_changes
        Recreated_GuiChecks
        RotateToPrincipalAxisSystem_UndoRedo
        StoppableMakroAction
        Subpackage_CodePatterns
        Subpackage_JobMarket
        Subpackage_LinearAlgebra
        Subpackage_levmar
        Subpackage_mpqc_open
        Subpackage_vmg
        ThirdParty_MPQC_rebuilt_buildsystem
        TrajectoryDependenant_MaxOrder
        TremoloParser_IncreasedPrecision
        TremoloParser_MultipleTimesteps
        Ubuntu_1604_changes
        stable
      
      
        
          | 
            Last change
 on this file since 11edf0 was             fbf143, checked in by Frederik Heber <heber@…>, 13 years ago           | 
        
        
          | 
             
Placed Containers, Converter, and SetValues as subfolders into Summation. 
 
- also libMolecuilderFragmentationSummation is now a shared library, easing
linkage to libMolecuilderJobs, and contains all of the three convenience
libraries.
 - libMolecuilderFragmentationSetValues is now again convenience, as contained
in ..Summation which in turn is shared.
 - KeySetsContainer right now is the link between lib..Summation and lib..
Fragmentation. Hence, we had to extract the module and change it into a
shared library, as it is required by libMolecuilderJobs through ..Summation
but also by ..Fragmentation that heavily relies on this container.
 - moved parseKeySetFile down into Fragmentation folder to KeySetsContainer, it
is also contained in new shared library libMolecuilderFragmentation_
KeySetsContainer.
  
           | 
        
        
          
            
              - 
Property                 mode
 set to                 
100644
               
             
           | 
        
        
          | 
            File size:
            778 bytes
           | 
        
      
      
| Rev | Line |   | 
|---|
| [cc276e] | 1 | /*
 | 
|---|
 | 2 |  * MPQCDataUnitTest.hpp
 | 
|---|
 | 3 |  *
 | 
|---|
 | 4 |  *  Created on: Feb 9, 2012
 | 
|---|
 | 5 |  *      Author: heber
 | 
|---|
 | 6 |  */
 | 
|---|
 | 7 | 
 | 
|---|
 | 8 | #ifndef MPQCDATAUNITTEST_HPP_
 | 
|---|
 | 9 | #define MPQCDATAUNITTEST_HPP_
 | 
|---|
 | 10 | 
 | 
|---|
 | 11 | // include config.h
 | 
|---|
 | 12 | #ifdef HAVE_CONFIG_H
 | 
|---|
 | 13 | #include <config.h>
 | 
|---|
 | 14 | #endif
 | 
|---|
 | 15 | 
 | 
|---|
 | 16 | #include <string>
 | 
|---|
 | 17 | 
 | 
|---|
 | 18 | #include <cppunit/extensions/HelperMacros.h>
 | 
|---|
 | 19 | 
 | 
|---|
 | 20 | class MPQCData;
 | 
|---|
 | 21 | 
 | 
|---|
 | 22 | 
 | 
|---|
 | 23 | /********************************************** Test classes **************************************/
 | 
|---|
 | 24 | 
 | 
|---|
 | 25 | class MPQCDataTest : public CppUnit::TestFixture
 | 
|---|
 | 26 | {
 | 
|---|
 | 27 |     CPPUNIT_TEST_SUITE( MPQCDataTest) ;
 | 
|---|
 | 28 |     CPPUNIT_TEST ( operatorTest );
 | 
|---|
 | 29 |     CPPUNIT_TEST ( serializationTest );
 | 
|---|
 | 30 |     CPPUNIT_TEST_SUITE_END();
 | 
|---|
 | 31 | 
 | 
|---|
 | 32 | public:
 | 
|---|
 | 33 |       void setUp();
 | 
|---|
 | 34 |       void tearDown();
 | 
|---|
 | 35 |       void operatorTest();
 | 
|---|
 | 36 |       void serializationTest();
 | 
|---|
 | 37 | 
 | 
|---|
 | 38 | private:
 | 
|---|
 | 39 |       MPQCData *data;
 | 
|---|
 | 40 | };
 | 
|---|
 | 41 | 
 | 
|---|
 | 42 | #endif /* MPQCDATAUNITTEST_HPP_ */
 | 
|---|
       
      
  Note:
 See   
TracBrowser
 for help on using the repository browser.